2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone

C15H14ClNO2 — CID 114877516

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cnccc1C
InChIInChI=1S/C15H14ClNO2/c1-10-5-6-17-9-13(10)14(18)8-11-7-12(16)3-4-15(11)19-2/h3-7,9H,8H2,1-2H3
InChIKeyHGSFZVVHBUYBSF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.48
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone

2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 114877516) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID114877516
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cnccc1C
InChIInChI=1S/C15H14ClNO2/c1-10-5-6-17-9-13(10)14(18)8-11-7-12(16)3-4-15(11)19-2/h3-7,9H,8H2,1-2H3
InChIKeyHGSFZVVHBUYBSF-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767251
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865
1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968652

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone (CID 114877516) is 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone is COc1ccc(Cl)cc1CC(=O)c1cnccc1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is HGSFZVVHBUYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-5-6-17-9-13(10)14(18)8-11-7-12(16)3-4-15(11)19-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 114877516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).